Correlation Analysis in Chemistry

Correlation Analysis in Chemistry
Author: N. Chapman
Publisher: Springer Science & Business Media
Total Pages: 557
Release: 2012-12-06
Genre: Science
ISBN: 1461588316

This book, Correlation Analysis in Chemistry: Recent Advances, is a sequel to our Advances in Linear Free Energy Relationships. t The change in the title is designed to reflect more accurately the nature of the field and the contents of the volume. The term LFER is still widely used, but it is often applied rather loosely to correlation equations that are not LFER in the restricted sense of a relationship involving logarithms of rate or equili brium constants on each side of the equation. The term "correlation analysis" seems to us more appropriate for the whole subject. The use of this term has compelled us also to introduce "chemistry" into the title; we have preferred not to prefix this with "organic" on the grounds that several areas of interest are not "organic chemistry" as usually understood, al though, of course, traditional applications of the basic relationships asso ciated with the names of Hammett and of Taft continue to be of interest. In the first volume we sought through our authors to provide a series of general articles covering the various aspects of the field as they seemed to us. Since the book was the first international research monograph in its field, each chapter, while giving prominence to recent developments, did not neglect earlier work, so that each article presented a comprehensive account of its own area.

Correlation Analysis in Chemistry of Solutions

Correlation Analysis in Chemistry of Solutions
Author: Roman Makitra
Publisher: CRC Press
Total Pages: 333
Release: 2004-07-01
Genre: Science
ISBN: 9047413245

The behavior of substances in solutions may not be adequately characterized by the effect of any single physicochemical parameter of solvents, nor are numerous semi-empirical scales of the solvent effect (their a polaritya ) suitable for their limited selections only. In recent decades, it has been found that the variation of reaction rate consta

Electron Correlation in Molecules

Electron Correlation in Molecules
Author: S. Wilson
Publisher: Courier Corporation
Total Pages: 305
Release: 2014-07-01
Genre: Science
ISBN: 0486150224

Electron correlation effects are of vital significance to the calculation of potential energy curves and surfaces, the study of molecular excitation processes, and in the theory of electron-molecule scattering. This text describes methods for addressing one of theoretical chemistry's central problems, the study of electron correlation effects in molecules. Although the energy associated with electron correlation is a small fraction of the total energy of an atom or molecule, it is of the same order of magnitude as most energies of chemical interest. If the solution of quantum mechanical equations from first principles is to provide an accurate quantitative prediction, reliable techniques for the theoretical determination of the effect of electron correlation on molecular properties are therefore important. To that end, this text explores molecular electronic structure, independent electron models, electron correlation, the linked diagram theorem, group theoretical aspects, the algebraic approximation, and truncation of expansions for expectation values.